SCHEMBL1958375

SCHEMBL1958375

Brc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(I)cc2)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MPI P34949 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
BRD4 O60885 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 4/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1959852 0.93 HRH1 (0.38) HRH1HRH4CNR1CNR2HPGD
SCHEMBL1960208 0.91 GCGR (0.36) HRH1HRH4CNR1CNR2HPGD
SCHEMBL2344753 0.90 CHRNB4 (0.31) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL1958373 0.88 CNR1 (0.37) HRH1HRH4CNR1CNR2HPGD
SCHEMBL1961127 0.87 CXCR2 (0.36) ALDH1A1GAAALOX15NPC1TSHR
SCHEMBL1958997 0.84 PTGES (0.39) HRH1CNR1CNR2HPGDALDH1A1
SCHEMBL1962141 0.84 SMN1; SMN2 (0.39) CNR1CNR2HPGDALDH1A1MAPT
SCHEMBL1959009 0.83 PTGES (0.39) HPGDALDH1A1GAAALOX12MAPT
SCHEMBL1959224 0.82 CLPP (0.31)
SCHEMBL1962577 0.82 MAPK13 (0.39) ALDH1A1GAAMAPK13GCGRMAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 HRH1 1492/4885HRH4 1599/4885CNR1 2991/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE HRH1 907/4885HRH4 1363/4885CNR1 3990/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.